(3S,5S)-5-methyl-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one

Systemtic Name: (3S,5S)-5-methyl-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one Openeye Name: (3S,5S)-5-methyl-3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3S,5S)-5-methyl-3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3S,5S)-5-methyl-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one Traditional Name: (3S,5S)-5-methyl-3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]tetrahydrofuran-2-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)O1)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C18H22N4O2S/c1-13-12-15(16(23)24-13)25-18-20-19-17(21-10-6-3-7-11-21)22(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-,15-/m0/s1